N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide

C21H24N2O4S — CID 10525034

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OCC(C)C)cc2)c1C
InChIInChI=1S/C21H24N2O4S/c1-14(2)13-26-18-11-9-17(10-12-18)19-7-5-6-8-20(19)28(24,25)23-21-15(3)16(4)22-27-21/h5-12,14,23H,13H2,1-4H3
InChIKeyLMIVZHGYWWZPOD-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.79
Rot. Bonds7

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide (PubChem CID 10525034) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide
PubChem CID10525034
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OCC(C)C)cc2)c1C
InChIInChI=1S/C21H24N2O4S/c1-14(2)13-26-18-11-9-17(10-12-18)19-7-5-6-8-20(19)28(24,25)23-21-15(3)16(4)22-27-21/h5-12,14,23H,13H2,1-4H3
InChIKeyLMIVZHGYWWZPOD-UHFFFAOYSA-N
XLogP4.79
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide
CID 9840391
2''-Hydroxymethyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 9950670
4-Hydroxy-4''-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10501166
4''-Isobutyl-2''-methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10597897
4''-Isopropoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10620185
2''-Hydroxy-4''-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10668703
4''-Isobutyl-5-methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10693130
4''-Methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10713411
4''-Benzyloxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10836583
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-[4-(propan-2-yl)phenoxy]acetamide
CID 985941
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 10549727
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydroxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 10621010

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide (CID 10525034) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OCC(C)C)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide?
The InChIKey is LMIVZHGYWWZPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14(2)13-26-18-11-9-17(10-12-18)19-7-5-6-8-20(19)28(24,25)23-21-15(3)16(4)22-27-21/h5-12,14,23H,13H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 10525034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).